| SpectraBase Compound ID | 1dVMoBDnF6L |
|---|---|
| InChI | InChI=1S/C19H26Cl2O4/c1-2-3-4-5-6-13-24-17(22)11-8-12-18(23)25-14-15-9-7-10-16(20)19(15)21/h7,9-10H,2-6,8,11-14H2,1H3 |
| InChIKey | MCJVYHJTZQOISN-UHFFFAOYSA-N |
| Mol Weight | 389.32 g/mol |
| Molecular Formula | C19H26Cl2O4 |
| Exact Mass | 388.120815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BaQBIV2a48l |
|---|---|
| Name | Glutaric acid, 2,3-dichlorobenzyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.120814713 u |
| Formula | C19H26Cl2O4 |
| InChI | InChI=1S/C19H26Cl2O4/c1-2-3-4-5-6-13-24-17(22)11-8-12-18(23)25-14-15-9-7-10-16(20)19(15)21/h7,9-10H,2-6,8,11-14H2,1H3 |
| InChIKey | MCJVYHJTZQOISN-UHFFFAOYSA-N |
| Molecular Weight | 389.319 g/mol |
| SMILES | C(OCC=1C=CC=C(Cl)C1Cl)(=O)CCCC(OCCCCCCC)=O |